Cas no 22683-71-2 (Benzenamine,3-isocyanato-2-methyl-)
22683-71-2 structure
Product Name:Benzenamine,3-isocyanato-2-methyl-
Benzenamine,3-isocyanato-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,3-isocyanato-2-methyl-
- 3-isocyanato-2-methylaniline
- SCHEMBL5418782
- 2-amino-6-isocyanato toluene
- 3-Amino-o-tolyl isocyanate
- AKOS006351008
- Benzenamine, 3-isocyanato-2-methyl-
- 22683-71-2
- DTXSID90945350
-
- Inchi： 1S/C8H8N2O/c1-6-7(9)3-2-4-8(6)10-5-11/h2-4H,9H2,1H3
- InChI Key： RCSTZSKOKIKWHC-UHFFFAOYSA-N
- SMILES： O=C=NC1=CC=CC(=C1C)N
Computed Properties
- Exact Mass: 148.06374
- Monoisotopic Mass: 148.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 175
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 55.4?2
Experimental Properties
- PSA: 55.45
Benzenamine,3-isocyanato-2-methyl- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
22683-71-2 (Benzenamine,3-isocyanato-2-methyl-) Related Products
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- 40397-98-6(2-isocyanato-1,4-dimethylbenzene)
- 51163-29-2(1-isocyanato-2,4-dimethylbenzene)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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